4-(3-carbamimidoylphenoxy)-3-[(4-dimethylaminophenyl)carbonylamino]butanoic acid

Systemtic Name: 4-(3-carbamimidoylphenoxy)-3-[(4-dimethylaminophenyl)carbonylamino]butanoic acid Openeye Name: 4-(3-carbamimidoylphenoxy)-3-[[4-(dimethylamino)benzoyl]amino]butanoic acid CAS Name: 4-(3-carbamimidoylphenoxy)-3-[[(4-dimethylaminophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-(3-carbamimidoylphenoxy)-3-[[4-(dimethylamino)benzoyl]amino]butanoic acid Traditional Name: 4-(3-amidinophenoxy)-3-[[4-(dimethylamino)benzoyl]amino]butyric acid Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)NC(CC(=O)O)COC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)NC(CC(=O)O)COC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C20H24N4O4/c1-24(2)16-8-6-13(7-9-16)20(27)23-15(11-18(25)26)12-28-17-5-3-4-14(10-17)19(21)22/h3-10,15H,11-12H2,1-2H3,(H3,21,22)(H,23,27)(H,25,26)